[3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone

C18H28N2O2 — CID 119492407

IUPAC[3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone
SMILESCCCCCOc1ccc(C(=O)N2CCCC(NC)C2)cc1
InChIInChI=1S/C18H28N2O2/c1-3-4-5-13-22-17-10-8-15(9-11-17)18(21)20-12-6-7-16(14-20)19-2/h8-11,16,19H,3-7,12-14H2,1-2H3
InChIKeyCQGNTYGCXRCTKX-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.08
Rot. Bonds7

About [3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone

[3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone (PubChem CID 119492407) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone
PubChem CID119492407
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name[3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone
SMILESCCCCCOc1ccc(C(=O)N2CCCC(NC)C2)cc1
InChIInChI=1S/C18H28N2O2/c1-3-4-5-13-22-17-10-8-15(9-11-17)18(21)20-12-6-7-16(14-20)19-2/h8-11,16,19H,3-7,12-14H2,1-2H3
InChIKeyCQGNTYGCXRCTKX-UHFFFAOYSA-N
XLogP3.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 110878335
[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119412519
[3-(1-aminoethyl)piperidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 119593799
[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124575554
[3-(aminomethyl)pyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119486348
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124575485
[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119490079
(3-bromopyrrolidin-1-yl)-(4-butoxyphenyl)methanone
CID 80677906
(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 92922661
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 55558062
(4-butoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81486913

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone (CID 119492407) is [3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone is CCCCCOc1ccc(C(=O)N2CCCC(NC)C2)cc1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone?
The InChIKey is CQGNTYGCXRCTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-4-5-13-22-17-10-8-15(9-11-17)18(21)20-12-6-7-16(14-20)19-2/h8-11,16,19H,3-7,12-14H2,1-2H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone?
[3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone has a molecular weight of 304.43 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone is sourced from PubChem (CID 119492407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).